4-羧基-2-硝基苯硼酸
TL;DR: 4-羧基-2-硝基苯硼酸 (CAS 85107-54-6) is a chemical compound with molecular formula C7H6BNO6 and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羧基-2-硝基苯硼酸
4-borono-3-nitrobenzoic acid
Also Known As: 4-carboxy-2-nitrophenylboronic acid, 4-borono-3-nitrobenzoic acid, 4-Carboxy-2-nitrobenzeneboronic acid, 4-CO2H-2-Nbba, 4-Nitroisophthalic acid
| Molecular Formula | C7H6BNO6 |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | -1.0272 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.02882 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 85107-54-6 |
|---|---|
| SMILES | B(C1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-])(O)O |
| InChIKey | APBXPKJLXBBPQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羧基-2-硝基苯硼酸 (CAS 85107-54-6), with molecular formula C7H6BNO6 and molecular weight 211.03 g/mol. IUPAC: 4-borono-3-nitrobenzoic acid.
Chemical Property Profile of 4-羧基-2-硝基苯硼酸
Property Insights of 4-羧基-2-硝基苯硼酸
The XLogP value of -1.0272 indicates that 4-羧基-2-硝基苯硼酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羧基-2-硝基苯硼酸. Following Lipinski's Rule of Five, 4-羧基-2-硝基苯硼酸 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-羧基-2-硝基苯硼酸?
The CAS number of 4-羧基-2-硝基苯硼酸 is 85107-54-6.
What is the molecular formula of 4-羧基-2-硝基苯硼酸?
The molecular formula of 4-羧基-2-硝基苯硼酸 is C7H6BNO6.
What is the molecular weight of 4-羧基-2-硝基苯硼酸?
The molecular weight of 4-羧基-2-硝基苯硼酸 is 211.03 g/mol.
Where can I buy 4-羧基-2-硝基苯硼酸?
You can request a quote for 4-羧基-2-硝基苯硼酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羧基-2-硝基苯硼酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羧基-2-硝基苯硼酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.